SCHEMBL9700288

SCHEMBL9700288

CCCc1cc2c(n1Cc1ccc(-c3ccccc3-c3nnn[nH]3)cc1)NC(N1CCOCC1)N=C2C

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.34
AGTR2 P50052 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9700442 0.94 AGTR1 (0.32) AGTR1AGTR2
SCHEMBL9702662 0.85 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9701486 0.84 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9702728 0.83 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9701178 0.81 PPARG (0.41) AGTR1AGTR2
SCHEMBL9700459 0.79 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9701157 0.79 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9700281 0.78 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL9701320 0.78 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9702287 0.78 AGTR1 (0.34) AGTR1AGTR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0497516-A1 Substituted pyrrolo-fused 6-membered heterocycles as angiotensin II antagonists MERCK & CO. INC. (US) 1992-08-05 EP disclosed
US-5124335-A Hypotensive agents, antiglaucoma agents MERCK & CO., INC. (US) 1992-06-23 US disclosed